methyl 5-bromanyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate

Systemtic Name: methyl 5-bromanyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate Openeye Name: methyl 5-bromo-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate CAS Name: 5-bromo-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylate Traditional Name: 5-bromo-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid methyl ester Formula: C16H13BrO2S MolecularWeight: 349.24222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)Br

InChI

InChI=1S/C16H13BrO2S/c1-19-16(18)11-6-7-12-13(17)8-10-4-2-3-5-14(10)20-15(12)9-11/h2-7,9,13H,8H2,1H3